2-[3-(tert-butylamino)-5-(4-methylphenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(tert-butylamino)-5-(4-methylphenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-(tert-butylamino)-2-oxo-5-(p-tolyl)-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-(tert-butylamino)-5-(4-methylphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-(tert-butylamino)-5-(4-methylphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-(tert-butylamino)-2-keto-5-(p-tolyl)-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(C(=O)N(C3=CC=CC=C23)CC(=O)O)NC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(C(=O)N(C3=CC=CC=C23)CC(=O)O)NC(C)(C)C

InChI

InChI=1S/C23H28N2O3/c1-15-9-11-16(12-10-15)18-13-19(24-23(2,3)4)22(28)25(14-21(26)27)20-8-6-5-7-17(18)20/h5-12,18-19,24H,13-14H2,1-4H3,(H,26,27)